UC-38 deriv.
TL;DR: UC-38 deriv. (CAS 135813-00-2) is a chemical compound with molecular formula C16H20ClNO4S and molecular weight 357.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 2-chloro-5-[(3-methyloxetan-3-yl)methoxycarbothioylamino]benzoate
Also Known As: UC-38 deriv., Acyclic oxathiin Carboxanilide deriv., Benzoic acid, 2-chloro-5-((((3-methyl-3-oxetanyl)methoxy)thioxomethyl)amino)-, 1-methylethyl ester, isopropyl 2-chloro-5-[(3-methyloxetan-3-yl)methoxycarbothioylamino]benzoate, Propan-2-yl 2-chloro-5-({[(3-methyloxetan-3-yl)methoxy]carbonothioyl}amino)benzoate
| Molecular Formula | C16H20ClNO4S |
|---|---|
| Molecular Weight | 357.08 g/mol |
| LogP | 3.6551 |
| Topological Polar Surface Area | 56.79 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 357.08017 |
| Heavy Atoms | 23 |
| Complexity | 601.7431 |
Chemical Identifiers
| CAS Number | 135813-00-2 |
|---|---|
| SMILES | CC(C)OC(=O)C1=C(C=CC(=C1)NC(=S)OCC2(COC2)C)Cl |
Product Overview
UC-38 deriv. (CAS 135813-00-2), with molecular formula C16H20ClNO4S and molecular weight 357.08 g/mol. IUPAC: propan-2-yl 2-chloro-5-[(3-methyloxetan-3-yl)methoxycarbothioylamino]benzoate.
Chemical Property Profile of UC-38 deriv.
Property Insights of UC-38 deriv.
The XLogP value of 3.6551 indicates that UC-38 deriv. is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.79 Ų, UC-38 deriv. exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, UC-38 deriv. has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of UC-38 deriv.?
The CAS number of UC-38 deriv. is 135813-00-2.
What is the molecular formula of UC-38 deriv.?
The molecular formula of UC-38 deriv. is C16H20ClNO4S.
What is the molecular weight of UC-38 deriv.?
The molecular weight of UC-38 deriv. is 357.08 g/mol.
Where can I buy UC-38 deriv.?
You can request a quote for UC-38 deriv. directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UC-38 deriv.?
Yes, KEHONG BIO provides custom synthesis services for UC-38 deriv. and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.